1,3-bis[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1,3-bis[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]thiourea Openeye Name: 1,3-bis[2-(isoxazol-3-ylmethylsulfanyl)ethyl]thiourea CAS Name: 1,3-bis[2-(3-isoxazolylmethylthio)ethyl]thiourea IUPAC Name: 1,3-bis[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]thiourea Traditional Name: 1,3-bis[2-(isoxazol-3-ylmethylthio)ethyl]thiourea Formula: C13H18N4O2S3 MolecularWeight: 358.50262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1CSCCNC(=S)NCCSCC2=NOC=C2

Isomeric SMILES

C1=CON=C1CSCCNC(=S)NCCSCC2=NOC=C2

InChI

InChI=1S/C13H18N4O2S3/c20-13(14-3-7-21-9-11-1-5-18-16-11)15-4-8-22-10-12-2-6-19-17-12/h1-2,5-6H,3-4,7-10H2,(H2,14,15,20)